Crystallography Open Database

Information card for entry 7039104

Preview

Coordinates	7039104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 Al2 N2 O6
Calculated formula	C58 H60 Al2 N2 O6
SMILES	c1c2ccccc2[n]2[Al]3(OCc4ccccc4)(OC(=Cc2c1)C(C)(C)C)[O]([Al]1([n]2c(ccc4ccccc24)C=C(O1)C(C)(C)C)(OCc1ccccc1)[O]3Cc1ccccc1)Cc1ccccc1
Title of publication	Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.
Authors of publication	Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9088 - 9096
a	10.5275 ± 0.0004 Å
b	18.9855 ± 0.0008 Å
c	13.0549 ± 0.0005 Å
α	90°
β	103.324 ± 0.001°
γ	90°
Cell volume	2539.05 ± 0.17 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185304 (current)	2016-08-07	cif/ Updating files of 7039100, 7039101, 7039102, 7039103, 7039104 Original log message: Adding full bibliography for 7039100--7039104.cif.	7039104.cif
182343	2016-04-28	cif/ Adding structures of 7039100, 7039101, 7039102, 7039103, 7039104 via cif-deposit CGI script.	7039104.cif